NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
5957 |
1i8y   |
4971 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 1 weight 0.10000E+01 volume 0.31838E-02 ppm1 7.478 ppm2 4.893 CV 1
OR { 1}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 23 and name HA ))
ASSI { 8}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 17 and name HB1 ))
3.800 1.800 1.800 peak 8 weight 0.10000E+01 volume 0.84606E-03 ppm1 7.085 ppm2 4.263 CV 1
OR { 8}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 18 and name HA ))
ASSI { 35}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HB2 ))
4.000 2.000 2.000 peak 35 weight 0.10000E+01 volume 0.11203E-02 ppm1 4.922 ppm2 2.854 CV 1
OR { 35}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 37}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 16 and name HD1%)
3.500 1.600 1.600 peak 37 weight 0.10000E+01 volume 0.83924E-03 ppm1 4.306 ppm2 -0.241 CV 1
OR { 37}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 16 and name HD1%)
OR { 37}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 16 and name HB2 ))
OR { 37}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 41}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HD1 ))
2.100 0.600 0.600 peak 41 weight 0.10000E+01 volume 0.70132E-02 ppm1 4.862 ppm2 3.800 CV 1
OR { 41}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HA ))
ASSI { 42}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HD1 ))
2.200 0.600 0.600 peak 42 weight 0.10000E+01 volume 0.12784E-01 ppm1 4.859 ppm2 3.907 CV 1
OR { 42}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HD2 ))
OR { 42}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HG1 ))
OR { 42}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HG2 ))
ASSI { 43}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 43 weight 0.10000E+01 volume 0.15261E-02 ppm1 4.542 ppm2 3.667 CV 1
OR { 43}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 44}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 18 and name HD2 ))
2.700 0.900 0.900 peak 44 weight 0.10000E+01 volume 0.67416E-02 ppm1 4.262 ppm2 3.623 CV 1
OR { 44}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HD2 ))
ASSI { 50}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 23 and name HD% )
3.900 1.900 1.900 peak 50 weight 0.10000E+01 volume 0.88071E-03 ppm1 4.854 ppm2 7.162 CV 1
OR { 50}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 23 and name HD% )
ASSI { 54}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HD% )
3.400 1.400 1.400 peak 54 weight 0.10000E+01 volume 0.20275E-02 ppm1 4.917 ppm2 7.173 CV 1
OR { 54}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 27 and name HD% )
ASSI { 58}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 22 and name HE3 ))
3.400 1.400 1.400 peak 58 weight 0.10000E+01 volume 0.61016E-03 ppm1 2.979 ppm2 7.470 CV 1
OR { 58}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 22 and name HE3 ))
ASSI { 62}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 23 and name HD% )
2.600 0.800 0.800 peak 62 weight 0.10000E+01 volume 0.44009E-02 ppm1 2.992 ppm2 7.165 CV 1
OR { 62}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HD% )
ASSI { 63}
(( segid " " and resid 23 and name HB1 ))
( segid " " and resid 23 and name HD% )
3.200 1.200 1.200 peak 63 weight 0.10000E+01 volume 0.13310E-02 ppm1 3.100 ppm2 7.171 CV 1
OR { 63}
(( segid " " and resid 27 and name HB1 ))
( segid " " and resid 27 and name HD% )
ASSI { 70}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 25 and name HA ))
2.500 0.800 0.800 peak 70 weight 0.10000E+01 volume 0.30297E-02 ppm1 3.804 ppm2 4.860 CV 1
OR { 70}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HA ))
OR { 70}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HA ))
ASSI { 71}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 17 and name HA ))
2.600 0.800 0.800 peak 71 weight 0.10000E+01 volume 0.44526E-02 ppm1 3.617 ppm2 4.847 CV 1
OR { 71}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 24 and name HA ))
OR { 71}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 25 and name HA ))
ASSI { 74}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 9 and name HD2 ))
3.100 1.200 1.200 peak 74 weight 0.10000E+01 volume 0.26005E-02 ppm1 2.851 ppm2 3.669 CV 1
OR { 74}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 75}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 8 and name HB2 ))
2.600 0.900 0.900 peak 75 weight 0.10000E+01 volume 0.44249E-02 ppm1 3.087 ppm2 3.678 CV 1
OR { 75}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 9 and name HD2 ))
OR { 75}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 8 and name HB2 ))
OR { 75}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 77}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 12 and name HB ))
2.900 1.000 1.000 peak 77 weight 0.10000E+01 volume 0.17217E-02 ppm1 3.087 ppm2 3.581 CV 1
OR { 77}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 78}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 24 and name HB1 ))
2.900 1.100 1.100 peak 78 weight 0.10000E+01 volume 0.14911E-02 ppm1 2.433 ppm2 3.074 CV 1
OR { 78}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 80}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 24 and name HB1 ))
2.500 0.800 0.800 peak 80 weight 0.10000E+01 volume 0.57064E-02 ppm1 3.694 ppm2 3.085 CV 1
OR { 80}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 24 and name HB1 ))
OR { 80}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 81}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 22 and name HB2 ))
4.000 2.000 2.000 peak 81 weight 0.10000E+01 volume 0.91591E-03 ppm1 3.838 ppm2 3.085 CV 1
OR { 81}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 24 and name HB1 ))
OR { 81}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 24 and name HB1 ))
OR { 81}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 14 and name HB1 ))
OR { 81}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 14 and name HB1 ))
OR { 81}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 92}
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 12 and name HG2%)
4.000 2.000 2.000 peak 92 weight 0.10000E+01 volume 0.10152E-02 ppm1 3.681 ppm2 0.826 CV 1
OR { 92}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 12 and name HG2%)
OR { 92}
(( segid " " and resid 8 and name HB2 ))
( segid " " and resid 12 and name HG2%)
ASSI { 93}
(( segid " " and resid 20 and name HA2 ))
(( segid " " and resid 16 and name HG ))
3.700 1.800 1.800 peak 93 weight 0.10000E+01 volume 0.54898E-03 ppm1 3.441 ppm2 0.906 CV 1
OR { 93}
(( segid " " and resid 20 and name HA2 ))
( segid " " and resid 21 and name HG2%)
ASSI { 112}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 21 and name HA ))
3.600 1.600 1.600 peak 112 weight 0.10000E+01 volume 0.11019E-02 ppm1 -0.227 ppm2 4.288 CV 1
OR { 112}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 17 and name HB1 ))
OR { 112}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 18 and name HA ))
OR { 112}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HB1 ))
OR { 112}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 21 and name HA ))
OR { 112}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 2}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 2 weight 0.10000E+01 volume 0.18260E-02 ppm1 9.642 ppm2 8.823 CV 1
OR { 2}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 25 and name HN ))
ASSI { 4}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 15 and name HN ))
5.400 3.600 0.600 peak 4 weight 0.10000E+01 volume 0.64706E-04 ppm1 8.813 ppm2 9.385 CV 1
OR { 4}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 15 and name HN ))
ASSI { 22}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG1%)
4.000 2.000 2.000 peak 22 weight 0.10000E+01 volume 0.95378E-03 ppm1 8.808 ppm2 0.818 CV 1
OR { 22}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 12 and name HG2%)
OR { 22}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 12 and name HG2%)
ASSI { 32}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 21 and name HB ))
3.900 1.900 1.900 peak 32 weight 0.10000E+01 volume 0.60722E-03 ppm1 9.107 ppm2 1.930 CV 1
OR { 32}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HG2 ))
ASSI { 34}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.800 1.800 1.800 peak 34 weight 0.10000E+01 volume 0.14844E-02 ppm1 9.391 ppm2 2.972 CV 1
OR { 34}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 35}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.500 1.500 1.500 peak 35 weight 0.10000E+01 volume 0.10242E-02 ppm1 9.376 ppm2 3.057 CV 1
OR { 35}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 23 and name HB2 ))
OR { 35}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 24 and name HB1 ))
ASSI { 37}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 2 and name HB2 ))
3.500 1.500 1.500 peak 37 weight 0.10000E+01 volume 0.86409E-03 ppm1 8.738 ppm2 3.012 CV 1
OR { 37}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 2 and name HB1 ))
OR { 37}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 40}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HD2 ))
3.800 1.800 1.800 peak 40 weight 0.10000E+01 volume 0.84478E-03 ppm1 8.808 ppm2 3.818 CV 1
OR { 40}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 16 and name HA ))
ASSI { 41}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HD1 ))
4.200 2.200 1.800 peak 41 weight 0.10000E+01 volume 0.88528E-03 ppm1 8.810 ppm2 3.915 CV 1
OR { 41}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 17 and name HB1 ))
OR { 41}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HG1 ))
OR { 41}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HG2 ))
ASSI { 52}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 14 and name HA ))
3.400 1.400 1.400 peak 52 weight 0.10000E+01 volume 0.13279E-02 ppm1 9.636 ppm2 4.814 CV 1
OR { 52}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HA ))
ASSI { 61}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 23 and name HD% )
3.400 1.400 1.400 peak 61 weight 0.10000E+01 volume 0.16189E-02 ppm1 9.107 ppm2 7.167 CV 1
OR { 61}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 22 and name HH2 ))
ASSI { 80}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 24 and name HA ))
3.500 1.500 1.500 peak 80 weight 0.10000E+01 volume 0.11876E-02 ppm1 8.631 ppm2 4.799 CV 1
OR { 80}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HA ))
ASSI { 86}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 86 weight 0.10000E+01 volume 0.46556E-02 ppm1 7.903 ppm2 4.907 CV 1
OR { 86}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HA ))
OR { 86}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HA ))
ASSI { 88}
(( segid " " and resid 1 and name HE1 ))
(( segid " " and resid 14 and name HA ))
5.500 3.800 0.500 peak 88 weight 0.10000E+01 volume 0.64706E-04 ppm1 7.791 ppm2 4.803 CV 1
OR { 88}
(( segid " " and resid 1 and name HE1 ))
(( segid " " and resid 24 and name HA ))
ASSI { 91}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 6 and name HB ))
3.600 1.700 1.700 peak 91 weight 0.10000E+01 volume 0.10864E-02 ppm1 8.263 ppm2 3.990 CV 1
OR { 91}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HA ))
ASSI { 93}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.300 0.700 0.700 peak 93 weight 0.10000E+01 volume 0.10082E-01 ppm1 8.317 ppm2 4.119 CV 1
OR { 93}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
ASSI { 94}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.400 1.500 1.500 peak 94 weight 0.10000E+01 volume 0.11175E-02 ppm1 8.092 ppm2 4.014 CV 1
OR { 94}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HB ))
ASSI { 97}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.600 1.600 1.600 peak 97 weight 0.10000E+01 volume 0.10434E-02 ppm1 7.893 ppm2 4.297 CV 1
OR { 97}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HA ))
OR { 97}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HA ))
ASSI { 101}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HD2 ))
3.900 1.900 1.900 peak 101 weight 0.10000E+01 volume 0.65132E-03 ppm1 7.909 ppm2 3.805 CV 1
OR { 101}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB2 ))
OR { 101}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB1 ))
ASSI { 102}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.600 1.700 1.700 peak 102 weight 0.10000E+01 volume 0.11479E-02 ppm1 8.636 ppm2 3.675 CV 1
OR { 102}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 25 and name HB1 ))
OR { 102}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 105}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA1 ))
4.000 2.000 2.000 peak 105 weight 0.10000E+01 volume 0.59719E-03 ppm1 7.955 ppm2 3.652 CV 1
OR { 105}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 8 and name HB1 ))
ASSI { 107}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.600 1.600 1.600 peak 107 weight 0.10000E+01 volume 0.84588E-03 ppm1 8.633 ppm2 3.097 CV 1
OR { 107}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HB1 ))
OR { 107}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 118}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.200 1.300 1.300 peak 118 weight 0.10000E+01 volume 0.18378E-02 ppm1 7.908 ppm2 1.925 CV 1
OR { 118}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HB ))
ASSI { 124}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 21 and name HG2%)
4.000 2.000 2.000 peak 124 weight 0.10000E+01 volume 0.79436E-03 ppm1 7.891 ppm2 0.909 CV 1
OR { 124}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 16 and name HG ))
ASSI { 125}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HG2%)
2.700 0.900 0.900 peak 125 weight 0.10000E+01 volume 0.44638E-02 ppm1 7.947 ppm2 0.819 CV 1
OR { 125}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 12 and name HG2%)
ASSI { 129}
(( segid " " and resid 22 and name HD1 ))
( segid " " and resid 16 and name HD1%)
3.300 1.300 1.300 peak 129 weight 0.10000E+01 volume 0.19350E-02 ppm1 7.338 ppm2 -0.243 CV 1
OR { 129}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 16 and name HD1%)
OR { 129}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 133}
(( segid " " and resid 22 and name HH2 ))
( segid " " and resid 16 and name HD2%)
2.700 0.900 0.900 peak 133 weight 0.10000E+01 volume 0.15167E-02 ppm1 7.173 ppm2 0.362 CV 1
OR { 133}
( segid " " and resid 23 and name HD% )
( segid " " and resid 16 and name HD2%)
ASSI { 135}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 16 and name HD2%)
4.100 2.100 1.900 peak 135 weight 0.10000E+01 volume 0.55390E-03 ppm1 7.341 ppm2 0.361 CV 1
OR { 135}
(( segid " " and resid 22 and name HD1 ))
( segid " " and resid 16 and name HD2%)
ASSI { 144}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 21 and name HG2%)
3.600 1.600 1.600 peak 144 weight 0.10000E+01 volume 0.67446E-03 ppm1 7.343 ppm2 0.940 CV 1
OR { 144}
(( segid " " and resid 22 and name HD1 ))
( segid " " and resid 21 and name HG2%)
OR { 144}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HG ))
ASSI { 146}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 21 and name HB ))
3.500 1.600 1.600 peak 146 weight 0.10000E+01 volume 0.70649E-03 ppm1 7.186 ppm2 1.916 CV 1
OR { 146}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 26 and name HB2 ))
ASSI { 147}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 18 and name HG2 ))
3.300 1.300 1.300 peak 147 weight 0.10000E+01 volume 0.79595E-03 ppm1 7.096 ppm2 1.911 CV 1
OR { 147}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 21 and name HB ))
ASSI { 163}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 25 and name HB2 ))
3.300 1.400 1.400 peak 163 weight 0.10000E+01 volume 0.84076E-03 ppm1 7.189 ppm2 3.581 CV 1
OR { 163}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 25 and name HB2 ))
ASSI { 167}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 13 and name HB ))
2.800 0.900 0.900 peak 167 weight 0.10000E+01 volume 0.14061E-02 ppm1 7.290 ppm2 3.824 CV 1
OR { 167}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 26 and name HD2 ))
OR { 167}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 28 and name HB2 ))
OR { 167}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 28 and name HB1 ))
ASSI { 169}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 26 and name HD2 ))
3.600 1.600 1.600 peak 169 weight 0.10000E+01 volume 0.64048E-03 ppm1 7.222 ppm2 3.819 CV 1
OR { 169}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HB2 ))
OR { 169}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 13 and name HB ))
OR { 169}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HB1 ))
ASSI { 170}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 26 and name HD2 ))
3.600 1.600 1.600 peak 170 weight 0.10000E+01 volume 0.72622E-03 ppm1 7.188 ppm2 3.832 CV 1
OR { 170}
(( segid " " and resid 22 and name HH2 ))
(( segid " " and resid 16 and name HA ))
OR { 170}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HB2 ))
OR { 170}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 16 and name HA ))
OR { 170}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HB1 ))
ASSI { 171}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 17 and name HB2 ))
3.500 1.500 1.500 peak 171 weight 0.10000E+01 volume 0.15681E-02 ppm1 7.087 ppm2 4.281 CV 1
OR { 171}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 18 and name HA ))
ASSI { 173}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HA ))
3.100 1.200 1.200 peak 173 weight 0.10000E+01 volume 0.20312E-02 ppm1 7.213 ppm2 4.663 CV 1
OR { 173}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 26 and name HA ))
ASSI { 175}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 15 and name HA ))
2.900 1.000 1.000 peak 175 weight 0.10000E+01 volume 0.34833E-02 ppm1 7.479 ppm2 4.891 CV 1
OR { 175}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 14 and name HA ))
ASSI { 177}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 24 and name HA ))
2.900 1.000 1.000 peak 177 weight 0.10000E+01 volume 0.29891E-02 ppm1 7.183 ppm2 4.851 CV 1
OR { 177}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 14 and name HA ))
OR { 177}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 25 and name HA ))
OR { 177}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 17 and name HA ))
OR { 177}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 25 and name HA ))
ASSI { 189}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HN ))
4.500 2.500 1.500 peak 189 weight 0.10000E+01 volume 0.59188E-03 ppm1 7.470 ppm2 8.812 CV 1
OR { 189}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 24 and name HN ))
OR { 189}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 25 and name HN ))
ASSI { 201}
( segid " " and resid 23 and name HE% )
( segid " " and resid 21 and name HG2%)
3.200 1.300 1.300 peak 201 weight 0.10000E+01 volume 0.57280E-03 ppm1 6.631 ppm2 0.938 CV 1
OR { 201}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 16 and name HG ))
ASSI { 215}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HN ))
3.400 1.400 1.400 peak 215 weight 0.10000E+01 volume 0.13814E-02 ppm1 3.690 ppm2 8.810 CV 1
OR { 215}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 25 and name HN ))
OR { 215}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 24 and name HN ))
ASSI { 216}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HN ))
3.900 1.900 1.900 peak 216 weight 0.10000E+01 volume 0.11561E-02 ppm1 3.663 ppm2 8.719 CV 1
OR { 216}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 221}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 25 and name HN ))
2.900 1.100 1.100 peak 221 weight 0.10000E+01 volume 0.17857E-02 ppm1 3.580 ppm2 8.811 CV 1
OR { 221}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 222}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 222 weight 0.10000E+01 volume 0.13878E-02 ppm1 3.607 ppm2 8.816 CV 1
OR { 222}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 25 and name HN ))
ASSI { 236}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HD1 ))
1.700 0.400 0.500 peak 236 weight 0.10000E+01 volume 0.16885E-01 ppm1 3.674 ppm2 3.843 CV 1
OR { 236}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 26 and name HD2 ))
ASSI { 243}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HD2 ))
1.900 0.400 0.400 peak 243 weight 0.10000E+01 volume 0.10065E-01 ppm1 3.917 ppm2 3.610 CV 1
OR { 243}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 244}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HD2 ))
2.000 0.500 0.500 peak 244 weight 0.10000E+01 volume 0.86415E-02 ppm1 3.850 ppm2 3.671 CV 1
OR { 244}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 25 and name HB1 ))
OR { 244}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 8 and name HB1 ))
OR { 244}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 246}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 24 and name HB1 ))
3.200 1.300 1.300 peak 246 weight 0.10000E+01 volume 0.16211E-02 ppm1 3.693 ppm2 3.078 CV 1
OR { 246}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 247}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 24 and name HB1 ))
2.700 0.900 0.900 peak 247 weight 0.10000E+01 volume 0.28173E-02 ppm1 3.664 ppm2 3.077 CV 1
OR { 247}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 24 and name HB1 ))
ASSI { 257}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HB1 ))
3.300 1.400 1.400 peak 257 weight 0.10000E+01 volume 0.96962E-03 ppm1 3.910 ppm2 2.222 CV 1
OR { 257}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HB1 ))
OR { 257}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HB1 ))
OR { 257}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HB1 ))
ASSI { 261}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HB2 ))
2.500 0.800 0.800 peak 261 weight 0.10000E+01 volume 0.58166E-02 ppm1 3.914 ppm2 1.933 CV 1
OR { 261}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HB2 ))
OR { 261}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HG2 ))
OR { 261}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 282}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 8 and name HB1 ))
2.300 0.700 0.700 peak 282 weight 0.10000E+01 volume 0.59607E-02 ppm1 3.106 ppm2 3.672 CV 1
OR { 282}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 9 and name HD2 ))
OR { 282}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 283}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 8 and name HB1 ))
2.200 0.600 0.600 peak 283 weight 0.10000E+01 volume 0.90793E-02 ppm1 3.077 ppm2 3.671 CV 1
OR { 283}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 9 and name HD2 ))
OR { 283}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 8 and name HB1 ))
OR { 283}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 285}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 8 and name HB1 ))
2.600 0.800 0.800 peak 285 weight 0.10000E+01 volume 0.43044E-02 ppm1 2.855 ppm2 3.670 CV 1
OR { 285}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 287}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 9 and name HD1 ))
3.100 1.200 1.200 peak 287 weight 0.10000E+01 volume 0.10448E-02 ppm1 3.078 ppm2 3.840 CV 1
OR { 287}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 13 and name HB ))
OR { 287}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 13 and name HB ))
OR { 287}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 16 and name HA ))
OR { 287}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 16 and name HA ))
ASSI { 296}
(( segid " " and resid 23 and name HB1 ))
( segid " " and resid 23 and name HD% )
2.600 0.900 0.900 peak 296 weight 0.10000E+01 volume 0.39897E-02 ppm1 3.078 ppm2 7.170 CV 1
OR { 296}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 27 and name HD% )
ASSI { 297}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 23 and name HD% )
2.500 0.800 0.800 peak 297 weight 0.10000E+01 volume 0.53741E-02 ppm1 3.005 ppm2 7.172 CV 1
OR { 297}
(( segid " " and resid 27 and name HB1 ))
( segid " " and resid 27 and name HD% )
ASSI { 310}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HN ))
3.700 1.700 1.700 peak 310 weight 0.10000E+01 volume 0.92943E-03 ppm1 3.001 ppm2 7.891 CV 1
OR { 310}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 28 and name HN ))
ASSI { 316}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 316 weight 0.10000E+01 volume 0.24315E-02 ppm1 2.857 ppm2 8.777 CV 1
OR { 316}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 318}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 318 weight 0.10000E+01 volume 0.39331E-02 ppm1 3.104 ppm2 8.802 CV 1
OR { 318}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 25 and name HN ))
OR { 318}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 24 and name HN ))
OR { 318}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 24 and name HN ))
ASSI { 322}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HN ))
3.400 1.400 1.400 peak 322 weight 0.10000E+01 volume 0.98831E-03 ppm1 3.075 ppm2 9.634 CV 1
OR { 322}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 23 and name HN ))
ASSI { 323}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.600 1.600 1.600 peak 323 weight 0.10000E+01 volume 0.90677E-03 ppm1 2.975 ppm2 9.641 CV 1
OR { 323}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 334}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 27 and name HN ))
4.000 2.000 2.000 peak 334 weight 0.10000E+01 volume 0.73645E-03 ppm1 2.241 ppm2 7.894 CV 1
OR { 334}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 20 and name HN ))
ASSI { 350}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 21 and name HB ))
2.400 0.700 0.700 peak 350 weight 0.10000E+01 volume 0.79205E-02 ppm1 0.833 ppm2 1.909 CV 1
OR { 350}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 7 and name HB ))
OR { 350}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 7 and name HB ))
ASSI { 353}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 2 and name HB1 ))
2.800 1.000 1.000 peak 353 weight 0.10000E+01 volume 0.45500E-02 ppm1 1.104 ppm2 2.995 CV 1
OR { 353}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 2 and name HB2 ))
OR { 353}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 14 and name HB2 ))
ASSI { 354}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 22 and name HB2 ))
3.300 1.400 1.400 peak 354 weight 0.10000E+01 volume 0.21012E-02 ppm1 0.951 ppm2 3.087 CV 1
OR { 354}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 23 and name HB1 ))
ASSI { 355}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 23 and name HB1 ))
3.400 1.500 1.500 peak 355 weight 0.10000E+01 volume 0.23070E-02 ppm1 0.827 ppm2 3.082 CV 1
OR { 355}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 24 and name HB1 ))
OR { 355}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 22 and name HB2 ))
ASSI { 357}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 22 and name HB1 ))
3.600 1.600 1.600 peak 357 weight 0.10000E+01 volume 0.12332E-02 ppm1 0.822 ppm2 3.334 CV 1
OR { 357}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 19 and name HB1 ))
ASSI { 361}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 361 weight 0.10000E+01 volume 0.17332E-02 ppm1 1.042 ppm2 4.896 CV 1
OR { 361}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 15 and name HA ))
ASSI { 370}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 370 weight 0.10000E+01 volume 0.51051E-02 ppm1 0.825 ppm2 7.945 CV 1
OR { 370}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 27 and name HN ))
OR { 370}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 20 and name HN ))
ASSI { 383}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 22 and name HN ))
3.900 1.900 1.900 peak 383 weight 0.10000E+01 volume 0.11240E-02 ppm1 0.826 ppm2 8.804 CV 1
OR { 383}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 25 and name HN ))
ASSI { 4}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 17 and name HA ))
3.200 1.300 1.300 peak 4 weight 0.10000E+01 volume 0.22799E-02 ppm1 6.623 ppm2 4.847 CV 1
ASSI { 6}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 17 and name HB2 ))
3.000 1.100 1.100 peak 6 weight 0.10000E+01 volume 0.20765E-02 ppm1 6.612 ppm2 3.956 CV 1
ASSI { 7}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 17 and name HB2 ))
3.600 1.600 1.600 peak 7 weight 0.10000E+01 volume 0.20834E-02 ppm1 7.176 ppm2 3.957 CV 1
ASSI { 13}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 22 and name HB1 ))
3.600 1.600 1.600 peak 13 weight 0.10000E+01 volume 0.21918E-02 ppm1 7.333 ppm2 3.302 CV 1
ASSI { 14}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HB1 ))
2.400 0.700 0.700 peak 14 weight 0.10000E+01 volume 0.49707E-02 ppm1 7.484 ppm2 3.303 CV 1
ASSI { 16}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 14 and name HB2 ))
3.100 1.200 1.200 peak 16 weight 0.10000E+01 volume 0.96377E-03 ppm1 7.486 ppm2 2.956 CV 1
ASSI { 18}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 23 and name HB1 ))
2.500 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.49250E-02 ppm1 7.165 ppm2 3.082 CV 1
ASSI { 19}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 19 weight 0.10000E+01 volume 0.69517E-02 ppm1 7.164 ppm2 2.976 CV 1
ASSI { 22}
(( segid " " and resid 1 and name HD2 ))
(( segid " " and resid 1 and name HB1 ))
2.900 1.100 1.100 peak 22 weight 0.10000E+01 volume 0.25536E-02 ppm1 6.810 ppm2 2.850 CV 1
OR { 22}
(( segid " " and resid 1 and name HD2 ))
(( segid " " and resid 1 and name HB2 ))
ASSI { 26}
(( segid " " and resid 22 and name HZ2 ))
( segid " " and resid 16 and name HD2%)
3.100 1.200 1.200 peak 26 weight 0.10000E+01 volume 0.20576E-02 ppm1 7.445 ppm2 0.355 CV 1
ASSI { 28}
(( segid " " and resid 22 and name HD1 ))
( segid " " and resid 16 and name HD1%)
3.500 1.500 1.500 peak 28 weight 0.10000E+01 volume 0.13323E-02 ppm1 7.333 ppm2 -0.237 CV 1
OR { 28}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 31}
( segid " " and resid 27 and name HD% )
( segid " " and resid 13 and name HG2%)
4.600 2.600 1.400 peak 31 weight 0.10000E+01 volume 0.18999E-03 ppm1 7.213 ppm2 1.040 CV 1
ASSI { 34}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 16 and name HD1%)
3.500 1.500 1.500 peak 34 weight 0.10000E+01 volume 0.14370E-02 ppm1 5.250 ppm2 -0.241 CV 1
OR { 34}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 36}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 8 and name HB1 ))
3.400 1.400 1.400 peak 36 weight 0.10000E+01 volume 0.13344E-02 ppm1 4.542 ppm2 2.427 CV 1
ASSI { 39}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 16 and name HA ))
2.400 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.47385E-02 ppm1 5.261 ppm2 3.835 CV 1
ASSI { 40}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HD1 ))
2.100 0.600 0.600 peak 40 weight 0.10000E+01 volume 0.10214E-01 ppm1 4.991 ppm2 3.843 CV 1
ASSI { 45}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 6 and name HB ))
2.800 1.000 1.000 peak 45 weight 0.10000E+01 volume 0.21722E-02 ppm1 4.479 ppm2 3.973 CV 1
ASSI { 46}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 46 weight 0.10000E+01 volume 0.18673E-02 ppm1 4.672 ppm2 4.910 CV 1
ASSI { 49}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 22 and name HE3 ))
3.200 1.300 1.300 peak 49 weight 0.10000E+01 volume 0.14730E-02 ppm1 4.897 ppm2 7.471 CV 1
OR { 49}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 22 and name HZ2 ))
ASSI { 55}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 22 and name HE3 ))
3.400 1.400 1.400 peak 55 weight 0.10000E+01 volume 0.99069E-03 ppm1 3.842 ppm2 7.470 CV 1
OR { 55}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 22 and name HZ2 ))
ASSI { 79}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 24 and name HB1 ))
2.400 0.700 0.700 peak 79 weight 0.10000E+01 volume 0.47946E-02 ppm1 3.590 ppm2 3.083 CV 1
ASSI { 85}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 8 and name HB1 ))
4.100 2.100 1.900 peak 85 weight 0.10000E+01 volume 0.82974E-03 ppm1 3.846 ppm2 2.434 CV 1
ASSI { 87}
(( segid " " and resid 2 and name HB1 ))
( segid " " and resid 6 and name HG2%)
3.000 1.100 1.100 peak 87 weight 0.10000E+01 volume 0.31378E-02 ppm1 2.989 ppm2 1.097 CV 1
OR { 87}
(( segid " " and resid 2 and name HB2 ))
( segid " " and resid 6 and name HG2%)
ASSI { 88}
(( segid " " and resid 23 and name HB1 ))
( segid " " and resid 21 and name HG2%)
3.300 1.400 1.400 peak 88 weight 0.10000E+01 volume 0.10049E-02 ppm1 3.094 ppm2 0.940 CV 1
ASSI { 90}
(( segid " " and resid 25 and name HB2 ))
( segid " " and resid 13 and name HG2%)
4.500 2.500 1.500 peak 90 weight 0.10000E+01 volume 0.30398E-03 ppm1 3.694 ppm2 1.022 CV 1
ASSI { 91}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 13 and name HG2%)
4.200 2.200 1.800 peak 91 weight 0.10000E+01 volume 0.56290E-03 ppm1 3.603 ppm2 1.022 CV 1
ASSI { 94}
(( segid " " and resid 20 and name HA2 ))
( segid " " and resid 16 and name HD2%)
3.300 1.400 1.400 peak 94 weight 0.10000E+01 volume 0.77518E-03 ppm1 3.451 ppm2 0.358 CV 1
ASSI { 96}
(( segid " " and resid 20 and name HA2 ))
( segid " " and resid 16 and name HD1%)
2.700 0.900 0.900 peak 96 weight 0.10000E+01 volume 0.27522E-02 ppm1 3.455 ppm2 -0.238 CV 1
ASSI { 97}
(( segid " " and resid 20 and name HA1 ))
( segid " " and resid 16 and name HD1%)
4.000 2.000 2.000 peak 97 weight 0.10000E+01 volume 0.15597E-02 ppm1 4.085 ppm2 -0.241 CV 1
ASSI { 98}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 26 and name HB2 ))
3.100 1.200 1.200 peak 98 weight 0.10000E+01 volume 0.15382E-02 ppm1 0.825 ppm2 2.248 CV 1
ASSI { 100}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 24 and name HB1 ))
3.600 1.700 1.700 peak 100 weight 0.10000E+01 volume 0.15003E-02 ppm1 0.831 ppm2 3.079 CV 1
ASSI { 103}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 5 and name HA ))
3.300 1.400 1.400 peak 103 weight 0.10000E+01 volume 0.21295E-02 ppm1 1.303 ppm2 4.343 CV 1
ASSI { 105}
( segid " " and resid 16 and name HD2%)
(( segid " " and resid 20 and name HA1 ))
4.600 2.700 1.400 peak 105 weight 0.10000E+01 volume 0.61436E-03 ppm1 0.368 ppm2 4.061 CV 1
ASSI { 108}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 22 and name HZ2 ))
3.100 1.200 1.200 peak 108 weight 0.10000E+01 volume 0.15116E-02 ppm1 -0.230 ppm2 7.449 CV 1
OR { 108}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 22 and name HE3 ))
ASSI { 109}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 22 and name HD1 ))
3.500 1.600 1.600 peak 109 weight 0.10000E+01 volume 0.11440E-02 ppm1 -0.232 ppm2 7.326 CV 1
ASSI { 111}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 22 and name HA ))
3.200 1.300 1.300 peak 111 weight 0.10000E+01 volume 0.18827E-02 ppm1 -0.233 ppm2 5.247 CV 1
ASSI { 114}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 20 and name HA2 ))
2.500 0.800 0.800 peak 114 weight 0.10000E+01 volume 0.38760E-02 ppm1 -0.233 ppm2 3.446 CV 1
OR { 114}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 20 and name HA2 ))
ASSI { 115}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 22 and name HB2 ))
4.000 2.000 2.000 peak 115 weight 0.10000E+01 volume 0.74607E-03 ppm1 -0.228 ppm2 3.139 CV 1
OR { 115}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 116}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 24 and name HB2 ))
3.600 1.600 1.600 peak 116 weight 0.10000E+01 volume 0.12660E-02 ppm1 0.836 ppm2 2.857 CV 1
ASSI { 1}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 15 and name HN ))
2.300 0.700 0.700 peak 1 weight 0.10000E+01 volume 0.71618E-02 ppm1 9.640 ppm2 9.377 CV 1
ASSI { 3}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
3.300 1.300 1.300 peak 3 weight 0.10000E+01 volume 0.25679E-02 ppm1 8.811 ppm2 9.659 CV 1
ASSI { 5}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 17 and name HN ))
6.000 4.400 0.000 peak 5 weight 0.10000E+01 volume 0.64706E-04 ppm1 9.640 ppm2 9.102 CV 1
ASSI { 11}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HD% )
2.400 0.700 0.700 peak 11 weight 0.10000E+01 volume 0.64858E-02 ppm1 9.643 ppm2 7.168 CV 1
ASSI { 12}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HE% )
3.500 1.600 1.600 peak 12 weight 0.10000E+01 volume 0.12757E-02 ppm1 9.643 ppm2 6.653 CV 1
ASSI { 13}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
1.900 0.400 0.400 peak 13 weight 0.10000E+01 volume 0.21583E-01 ppm1 9.642 ppm2 5.250 CV 1
ASSI { 15}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 16 and name HA ))
3.600 1.600 1.600 peak 15 weight 0.10000E+01 volume 0.14765E-02 ppm1 9.637 ppm2 3.839 CV 1
ASSI { 16}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.000 1.100 1.100 peak 16 weight 0.10000E+01 volume 0.24056E-02 ppm1 9.644 ppm2 3.307 CV 1
ASSI { 17}
(( segid " " and resid 22 and name HE1 ))
( segid " " and resid 16 and name HD2%)
3.500 1.600 1.600 peak 17 weight 0.10000E+01 volume 0.11817E-02 ppm1 10.119 ppm2 0.363 CV 1
ASSI { 18}
(( segid " " and resid 22 and name HE1 ))
( segid " " and resid 16 and name HD1%)
2.700 0.900 0.900 peak 18 weight 0.10000E+01 volume 0.37866E-02 ppm1 10.120 ppm2 -0.241 CV 1
OR { 18}
(( segid " " and resid 22 and name HE1 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 19}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HD1%)
2.800 0.900 0.900 peak 19 weight 0.10000E+01 volume 0.48495E-02 ppm1 9.110 ppm2 -0.241 CV 1
OR { 19}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 20}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 16 and name HD1%)
3.700 1.700 1.700 peak 20 weight 0.10000E+01 volume 0.92175E-03 ppm1 8.806 ppm2 -0.246 CV 1
OR { 20}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 21}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HD2%)
3.700 1.700 1.700 peak 21 weight 0.10000E+01 volume 0.78322E-03 ppm1 9.109 ppm2 0.362 CV 1
ASSI { 23}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 7 and name HG2%)
3.200 1.300 1.300 peak 23 weight 0.10000E+01 volume 0.22586E-02 ppm1 8.728 ppm2 0.835 CV 1
ASSI { 24}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG2%)
2.500 0.800 0.800 peak 24 weight 0.10000E+01 volume 0.40284E-02 ppm1 8.812 ppm2 0.944 CV 1
ASSI { 25}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HG ))
3.300 1.400 1.400 peak 25 weight 0.10000E+01 volume 0.11011E-02 ppm1 9.109 ppm2 0.913 CV 1
ASSI { 26}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
4.300 2.300 1.700 peak 26 weight 0.10000E+01 volume 0.74632E-03 ppm1 9.105 ppm2 1.140 CV 1
ASSI { 27}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 6 and name HG2%)
3.800 1.800 1.800 peak 27 weight 0.10000E+01 volume 0.52208E-03 ppm1 8.730 ppm2 1.102 CV 1
ASSI { 28}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 13 and name HG2%)
4.300 2.300 1.700 peak 28 weight 0.10000E+01 volume 0.32351E-03 ppm1 8.814 ppm2 1.033 CV 1
ASSI { 29}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HG11))
3.900 1.900 1.900 peak 29 weight 0.10000E+01 volume 0.58781E-03 ppm1 8.724 ppm2 1.421 CV 1
ASSI { 30}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB ))
3.300 1.400 1.400 peak 30 weight 0.10000E+01 volume 0.16518E-02 ppm1 8.728 ppm2 1.833 CV 1
ASSI { 31}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB ))
3.400 1.400 1.400 peak 31 weight 0.10000E+01 volume 0.20374E-02 ppm1 8.811 ppm2 1.907 CV 1
ASSI { 33}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.900 1.100 1.100 peak 33 weight 0.10000E+01 volume 0.23096E-02 ppm1 8.778 ppm2 2.988 CV 1
ASSI { 36}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.900 1.900 1.900 peak 36 weight 0.10000E+01 volume 0.10067E-02 ppm1 8.816 ppm2 2.856 CV 1
ASSI { 38}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HD2 ))
4.200 2.200 1.800 peak 38 weight 0.10000E+01 volume 0.58056E-03 ppm1 9.103 ppm2 3.608 CV 1
ASSI { 39}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
1.800 0.400 0.400 peak 39 weight 0.10000E+01 volume 0.22760E-01 ppm1 9.109 ppm2 3.843 CV 1
ASSI { 45}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.100 0.600 0.600 peak 45 weight 0.10000E+01 volume 0.11983E-01 ppm1 8.728 ppm2 4.196 CV 1
ASSI { 46}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
1.900 0.500 0.500 peak 46 weight 0.10000E+01 volume 0.22939E-01 ppm1 8.882 ppm2 4.548 CV 1
ASSI { 47}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
1.900 0.400 0.400 peak 47 weight 0.10000E+01 volume 0.22939E-01 ppm1 8.811 ppm2 4.303 CV 1
ASSI { 48}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.900 1.100 1.100 peak 48 weight 0.10000E+01 volume 0.20278E-02 ppm1 8.830 ppm2 4.409 CV 1
ASSI { 49}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.500 0.800 0.800 peak 49 weight 0.10000E+01 volume 0.42455E-02 ppm1 8.776 ppm2 4.916 CV 1
ASSI { 50}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
1.900 0.400 0.400 peak 50 weight 0.10000E+01 volume 0.21985E-01 ppm1 8.810 ppm2 4.807 CV 1
ASSI { 51}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
1.800 0.400 0.400 peak 51 weight 0.10000E+01 volume 0.28257E-01 ppm1 9.390 ppm2 4.811 CV 1
ASSI { 54}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 22 and name HA ))
3.800 1.800 1.800 peak 54 weight 0.10000E+01 volume 0.77269E-03 ppm1 9.389 ppm2 5.259 CV 1
ASSI { 55}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 22 and name HA ))
2.900 1.100 1.100 peak 55 weight 0.10000E+01 volume 0.25280E-02 ppm1 9.108 ppm2 5.249 CV 1
ASSI { 59}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 23 and name HE% )
3.600 1.600 1.600 peak 59 weight 0.10000E+01 volume 0.10271E-02 ppm1 9.107 ppm2 6.624 CV 1
ASSI { 60}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 60 weight 0.10000E+01 volume 0.39827E-02 ppm1 9.109 ppm2 7.012 CV 1
ASSI { 64}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HE3 ))
4.500 2.500 1.500 peak 64 weight 0.10000E+01 volume 0.56872E-03 ppm1 8.823 ppm2 7.465 CV 1
OR { 64}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HZ2 ))
ASSI { 65}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 20 and name HN ))
3.700 1.800 1.800 peak 65 weight 0.10000E+01 volume 0.92730E-03 ppm1 9.108 ppm2 7.891 CV 1
ASSI { 66}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
4.200 2.200 1.800 peak 66 weight 0.10000E+01 volume 0.75557E-03 ppm1 9.113 ppm2 8.069 CV 1
ASSI { 67}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 67 weight 0.10000E+01 volume 0.10628E-02 ppm1 9.376 ppm2 8.063 CV 1
ASSI { 68}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
3.300 1.400 1.400 peak 68 weight 0.10000E+01 volume 0.11264E-02 ppm1 8.834 ppm2 7.946 CV 1
ASSI { 69}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 69 weight 0.10000E+01 volume 0.48526E-02 ppm1 8.813 ppm2 8.622 CV 1
ASSI { 76}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.200 0.600 0.600 peak 76 weight 0.10000E+01 volume 0.82043E-02 ppm1 7.891 ppm2 7.011 CV 1
ASSI { 77}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 22 and name HZ3 ))
3.100 1.200 1.200 peak 77 weight 0.10000E+01 volume 0.16240E-02 ppm1 8.073 ppm2 6.970 CV 1
ASSI { 79}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.300 0.700 0.700 peak 79 weight 0.10000E+01 volume 0.64706E-02 ppm1 8.630 ppm2 4.903 CV 1
ASSI { 81}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.000 0.500 0.500 peak 81 weight 0.10000E+01 volume 0.14836E-01 ppm1 8.070 ppm2 4.888 CV 1
ASSI { 82}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.600 0.900 0.900 peak 82 weight 0.10000E+01 volume 0.38565E-02 ppm1 8.267 ppm2 4.483 CV 1
ASSI { 83}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HA ))
3.300 1.400 1.400 peak 83 weight 0.10000E+01 volume 0.14619E-02 ppm1 7.962 ppm2 4.413 CV 1
ASSI { 84}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
3.100 1.200 1.200 peak 84 weight 0.10000E+01 volume 0.15089E-02 ppm1 7.751 ppm2 4.355 CV 1
ASSI { 85}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.300 0.700 0.700 peak 85 weight 0.10000E+01 volume 0.77378E-02 ppm1 7.851 ppm2 4.669 CV 1
ASSI { 92}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB ))
3.100 1.200 1.200 peak 92 weight 0.10000E+01 volume 0.12379E-02 ppm1 8.311 ppm2 3.985 CV 1
ASSI { 96}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA2 ))
3.000 1.100 1.100 peak 96 weight 0.10000E+01 volume 0.16274E-02 ppm1 7.963 ppm2 4.205 CV 1
ASSI { 99}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 2 and name HA ))
3.500 1.500 1.500 peak 99 weight 0.10000E+01 volume 0.91786E-03 ppm1 8.307 ppm2 4.480 CV 1
ASSI { 100}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 2 and name HA ))
4.000 2.000 2.000 peak 100 weight 0.10000E+01 volume 0.52939E-03 ppm1 7.762 ppm2 4.463 CV 1
ASSI { 103}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB ))
2.300 0.700 0.700 peak 103 weight 0.10000E+01 volume 0.77640E-02 ppm1 8.630 ppm2 3.586 CV 1
ASSI { 104}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.800 1.000 1.000 peak 104 weight 0.10000E+01 volume 0.39609E-02 ppm1 8.073 ppm2 3.603 CV 1
ASSI { 106}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
3.600 1.600 1.600 peak 106 weight 0.10000E+01 volume 0.15643E-02 ppm1 8.069 ppm2 3.341 CV 1
ASSI { 108}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB1 ))
3.000 1.100 1.100 peak 108 weight 0.10000E+01 volume 0.25811E-02 ppm1 8.267 ppm2 2.994 CV 1
OR { 108}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 109}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.800 1.800 1.800 peak 109 weight 0.10000E+01 volume 0.71904E-03 ppm1 7.856 ppm2 3.115 CV 1
ASSI { 110}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
4.200 2.200 1.800 peak 110 weight 0.10000E+01 volume 0.65686E-03 ppm1 7.851 ppm2 3.010 CV 1
ASSI { 112}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
3.400 1.400 1.400 peak 112 weight 0.10000E+01 volume 0.68116E-03 ppm1 7.896 ppm2 2.573 CV 1
ASSI { 113}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 113 weight 0.10000E+01 volume 0.97321E-03 ppm1 7.911 ppm2 2.259 CV 1
ASSI { 114}
(( segid " " and resid 1 and name HE1 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 114 weight 0.10000E+01 volume 0.64706E-04 ppm1 7.791 ppm2 2.489 CV 1
ASSI { 115}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.900 1.900 1.900 peak 115 weight 0.10000E+01 volume 0.72555E-03 ppm1 7.988 ppm2 2.710 CV 1
ASSI { 116}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.800 1.800 1.800 peak 116 weight 0.10000E+01 volume 0.68829E-03 ppm1 7.959 ppm2 2.438 CV 1
ASSI { 117}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
3.400 1.500 1.500 peak 117 weight 0.10000E+01 volume 0.79467E-03 ppm1 8.526 ppm2 2.301 CV 1
ASSI { 121}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 6 and name HG2%)
3.100 1.200 1.200 peak 121 weight 0.10000E+01 volume 0.20456E-02 ppm1 8.320 ppm2 1.098 CV 1
ASSI { 123}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 6 and name HG2%)
4.100 2.100 1.900 peak 123 weight 0.10000E+01 volume 0.86062E-03 ppm1 8.262 ppm2 1.096 CV 1
ASSI { 127}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 16 and name HD1%)
3.500 1.500 1.500 peak 127 weight 0.10000E+01 volume 0.13855E-02 ppm1 7.892 ppm2 -0.240 CV 1
ASSI { 128}
(( segid " " and resid 22 and name HZ2 ))
( segid " " and resid 16 and name HD1%)
2.800 1.000 1.000 peak 128 weight 0.10000E+01 volume 0.32200E-02 ppm1 7.467 ppm2 -0.239 CV 1
OR { 128}
(( segid " " and resid 22 and name HZ2 ))
(( segid " " and resid 16 and name HB2 ))
OR { 128}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 130}
(( segid " " and resid 22 and name HH2 ))
(( segid " " and resid 16 and name HB2 ))
3.400 1.500 1.500 peak 130 weight 0.10000E+01 volume 0.21020E-02 ppm1 7.176 ppm2 -0.242 CV 1
OR { 130}
(( segid " " and resid 22 and name HH2 ))
( segid " " and resid 16 and name HD1%)
ASSI { 131}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 16 and name HD1%)
3.200 1.300 1.300 peak 131 weight 0.10000E+01 volume 0.15563E-02 ppm1 7.023 ppm2 -0.242 CV 1
OR { 131}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 132}
(( segid " " and resid 22 and name HZ3 ))
(( segid " " and resid 16 and name HB2 ))
3.700 1.700 1.700 peak 132 weight 0.10000E+01 volume 0.15899E-02 ppm1 6.979 ppm2 -0.239 CV 1
OR { 132}
(( segid " " and resid 22 and name HZ3 ))
( segid " " and resid 16 and name HD1%)
ASSI { 134}
(( segid " " and resid 22 and name HZ2 ))
( segid " " and resid 16 and name HD2%)
2.900 1.100 1.100 peak 134 weight 0.10000E+01 volume 0.33906E-02 ppm1 7.465 ppm2 0.362 CV 1
OR { 134}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 16 and name HD2%)
ASSI { 138}
( segid " " and resid 19 and name HD% )
( segid " " and resid 21 and name HG1%)
3.400 1.500 1.500 peak 138 weight 0.10000E+01 volume 0.19088E-02 ppm1 7.088 ppm2 0.812 CV 1
ASSI { 139}
( segid " " and resid 19 and name HE% )
( segid " " and resid 21 and name HG1%)
4.600 2.600 1.400 peak 139 weight 0.10000E+01 volume 0.64706E-04 ppm1 6.837 ppm2 0.819 CV 1
ASSI { 140}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 18 and name HG2 ))
3.500 1.500 1.500 peak 140 weight 0.10000E+01 volume 0.59836E-03 ppm1 6.837 ppm2 1.916 CV 1
ASSI { 142}
( segid " " and resid 27 and name HE% )
( segid " " and resid 13 and name HG2%)
4.800 2.800 1.200 peak 142 weight 0.10000E+01 volume 0.12940E-03 ppm1 7.293 ppm2 1.038 CV 1
ASSI { 145}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 18 and name HB2 ))
3.300 1.300 1.300 peak 145 weight 0.10000E+01 volume 0.49665E-03 ppm1 7.077 ppm2 1.279 CV 1
ASSI { 149}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HB2 ))
2.500 0.800 0.800 peak 149 weight 0.10000E+01 volume 0.56990E-02 ppm1 7.088 ppm2 2.572 CV 1
ASSI { 150}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 19 and name HB2 ))
4.400 2.500 1.600 peak 150 weight 0.10000E+01 volume 0.70144E-03 ppm1 6.827 ppm2 2.597 CV 1
ASSI { 151}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HB1 ))
2.700 0.900 0.900 peak 151 weight 0.10000E+01 volume 0.40621E-02 ppm1 7.214 ppm2 2.998 CV 1
ASSI { 152}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HB2 ))
2.700 0.900 0.900 peak 152 weight 0.10000E+01 volume 0.34274E-02 ppm1 7.217 ppm2 3.089 CV 1
ASSI { 155}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 22 and name HB2 ))
2.200 0.600 0.600 peak 155 weight 0.10000E+01 volume 0.87724E-02 ppm1 7.338 ppm2 3.126 CV 1
ASSI { 156}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HB2 ))
3.800 1.800 1.800 peak 156 weight 0.10000E+01 volume 0.26331E-02 ppm1 7.477 ppm2 3.120 CV 1
ASSI { 159}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HB1 ))
2.500 0.800 0.800 peak 159 weight 0.10000E+01 volume 0.50482E-02 ppm1 7.087 ppm2 3.339 CV 1
ASSI { 160}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA2 ))
2.900 1.000 1.000 peak 160 weight 0.10000E+01 volume 0.18869E-02 ppm1 7.014 ppm2 3.450 CV 1
ASSI { 161}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 18 and name HD2 ))
3.000 1.200 1.200 peak 161 weight 0.10000E+01 volume 0.11806E-02 ppm1 7.092 ppm2 3.611 CV 1
ASSI { 162}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 25 and name HB2 ))
3.300 1.400 1.400 peak 162 weight 0.10000E+01 volume 0.93211E-03 ppm1 7.287 ppm2 3.591 CV 1
ASSI { 166}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 16 and name HA ))
3.100 1.200 1.200 peak 166 weight 0.10000E+01 volume 0.14907E-02 ppm1 7.479 ppm2 3.844 CV 1
ASSI { 168}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 17 and name HB1 ))
3.400 1.400 1.400 peak 168 weight 0.10000E+01 volume 0.29716E-02 ppm1 7.182 ppm2 3.968 CV 1
ASSI { 174}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 174 weight 0.10000E+01 volume 0.42559E-02 ppm1 7.086 ppm2 4.627 CV 1
ASSI { 176}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 23 and name HA ))
3.500 1.500 1.500 peak 176 weight 0.10000E+01 volume 0.18218E-02 ppm1 7.182 ppm2 4.908 CV 1
ASSI { 178}
(( segid " " and resid 22 and name HZ3 ))
(( segid " " and resid 15 and name HA ))
2.400 0.700 0.700 peak 178 weight 0.10000E+01 volume 0.60559E-02 ppm1 6.976 ppm2 4.889 CV 1
ASSI { 180}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HA ))
2.600 0.800 0.800 peak 180 weight 0.10000E+01 volume 0.49947E-02 ppm1 7.479 ppm2 5.251 CV 1
ASSI { 181}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 22 and name HA ))
3.900 1.900 1.900 peak 181 weight 0.10000E+01 volume 0.64213E-03 ppm1 7.338 ppm2 5.248 CV 1
ASSI { 182}
( segid " " and resid 23 and name HD% )
(( segid " " and resid 22 and name HA ))
3.300 1.400 1.400 peak 182 weight 0.10000E+01 volume 0.12547E-02 ppm1 7.186 ppm2 5.250 CV 1
ASSI { 186}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HN ))
3.400 1.500 1.500 peak 186 weight 0.10000E+01 volume 0.89496E-03 ppm1 7.211 ppm2 7.907 CV 1
ASSI { 187}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 187 weight 0.10000E+01 volume 0.79375E-03 ppm1 7.479 ppm2 8.062 CV 1
ASSI { 188}
(( segid " " and resid 22 and name HD1 ))
(( segid " " and resid 22 and name HN ))
2.400 0.700 0.700 peak 188 weight 0.10000E+01 volume 0.71605E-02 ppm1 7.338 ppm2 8.806 CV 1
ASSI { 190}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
4.000 2.000 2.000 peak 190 weight 0.10000E+01 volume 0.67191E-03 ppm1 7.024 ppm2 8.804 CV 1
ASSI { 193}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 15 and name HN ))
3.000 1.100 1.100 peak 193 weight 0.10000E+01 volume 0.19914E-02 ppm1 7.479 ppm2 9.376 CV 1
ASSI { 195}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 195 weight 0.10000E+01 volume 0.18907E-02 ppm1 7.480 ppm2 9.638 CV 1
ASSI { 196}
(( segid " " and resid 22 and name HZ2 ))
(( segid " " and resid 22 and name HE1 ))
2.400 0.700 0.700 peak 196 weight 0.10000E+01 volume 0.71812E-02 ppm1 7.463 ppm2 10.113 CV 1
ASSI { 200}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 17 and name HB1 ))
2.800 1.000 1.000 peak 200 weight 0.10000E+01 volume 0.34326E-02 ppm1 6.627 ppm2 3.968 CV 1
ASSI { 203}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB1 ))
3.400 1.400 1.400 peak 203 weight 0.10000E+01 volume 0.64201E-03 ppm1 5.265 ppm2 3.320 CV 1
ASSI { 204}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB1 ))
3.000 1.100 1.100 peak 204 weight 0.10000E+01 volume 0.17241E-02 ppm1 4.477 ppm2 2.999 CV 1
OR { 204}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 209}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.800 1.800 1.800 peak 209 weight 0.10000E+01 volume 0.59609E-03 ppm1 3.600 ppm2 9.377 CV 1
ASSI { 211}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 211 weight 0.10000E+01 volume 0.18710E-02 ppm1 3.983 ppm2 9.104 CV 1
ASSI { 217}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 217 weight 0.10000E+01 volume 0.95226E-03 ppm1 3.820 ppm2 8.623 CV 1
ASSI { 220}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
3.100 1.200 1.200 peak 220 weight 0.10000E+01 volume 0.15669E-02 ppm1 4.118 ppm2 8.301 CV 1
ASSI { 224}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 224 weight 0.10000E+01 volume 0.97851E-03 ppm1 3.862 ppm2 8.055 CV 1
ASSI { 226}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 12 and name HN ))
3.800 1.800 1.800 peak 226 weight 0.10000E+01 volume 0.97108E-03 ppm1 3.612 ppm2 7.943 CV 1
ASSI { 228}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 228 weight 0.10000E+01 volume 0.86409E-03 ppm1 4.186 ppm2 7.844 CV 1
ASSI { 229}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 6 and name HN ))
3.200 1.300 1.300 peak 229 weight 0.10000E+01 volume 0.10018E-02 ppm1 3.990 ppm2 7.746 CV 1
ASSI { 230}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
3.700 1.700 1.700 peak 230 weight 0.10000E+01 volume 0.54802E-03 ppm1 4.107 ppm2 7.747 CV 1
ASSI { 235}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HD1 ))
1.700 0.400 0.500 peak 235 weight 0.10000E+01 volume 0.16857E-01 ppm1 3.611 ppm2 3.910 CV 1
ASSI { 237}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB1 ))
2.300 0.700 0.700 peak 237 weight 0.10000E+01 volume 0.23254E-02 ppm1 4.285 ppm2 3.962 CV 1
ASSI { 239}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB ))
3.000 1.100 1.100 peak 239 weight 0.10000E+01 volume 0.20131E-02 ppm1 4.118 ppm2 3.979 CV 1
ASSI { 250}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB1 ))
2.900 1.000 1.000 peak 250 weight 0.10000E+01 volume 0.23060E-02 ppm1 4.126 ppm2 2.694 CV 1
ASSI { 252}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 252 weight 0.10000E+01 volume 0.42819E-02 ppm1 4.418 ppm2 2.603 CV 1
OR { 252}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 253}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
2.900 1.000 1.000 peak 253 weight 0.10000E+01 volume 0.35214E-02 ppm1 4.134 ppm2 2.489 CV 1
ASSI { 254}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
3.800 1.800 1.800 peak 254 weight 0.10000E+01 volume 0.79241E-03 ppm1 4.448 ppm2 2.302 CV 1
ASSI { 255}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB1 ))
3.200 1.300 1.300 peak 255 weight 0.10000E+01 volume 0.20562E-02 ppm1 4.299 ppm2 2.215 CV 1
ASSI { 256}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HB2 ))
1.900 0.400 0.400 peak 256 weight 0.10000E+01 volume 0.93558E-02 ppm1 3.698 ppm2 2.429 CV 1
ASSI { 258}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HG2 ))
2.500 0.800 0.800 peak 258 weight 0.10000E+01 volume 0.42005E-02 ppm1 3.674 ppm2 1.971 CV 1
OR { 258}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HG1 ))
ASSI { 259}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HG1 ))
2.900 1.000 1.000 peak 259 weight 0.10000E+01 volume 0.32535E-02 ppm1 3.617 ppm2 1.818 CV 1
ASSI { 260}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HG1 ))
2.600 0.900 0.900 peak 260 weight 0.10000E+01 volume 0.33536E-02 ppm1 3.850 ppm2 1.987 CV 1
OR { 260}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 264}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HB2 ))
3.100 1.200 1.200 peak 264 weight 0.10000E+01 volume 0.51277E-02 ppm1 3.808 ppm2 1.935 CV 1
ASSI { 265}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HG2 ))
2.500 0.800 0.800 peak 265 weight 0.10000E+01 volume 0.25727E-02 ppm1 3.614 ppm2 1.919 CV 1
ASSI { 268}
(( segid " " and resid 6 and name HB ))
( segid " " and resid 6 and name HG2%)
2.900 1.000 1.000 peak 268 weight 0.10000E+01 volume 0.21894E-02 ppm1 3.973 ppm2 1.098 CV 1
ASSI { 269}
(( segid " " and resid 13 and name HB ))
( segid " " and resid 13 and name HG2%)
2.900 1.000 1.000 peak 269 weight 0.10000E+01 volume 0.22860E-02 ppm1 3.809 ppm2 1.033 CV 1
ASSI { 270}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HB2 ))
4.300 2.400 1.700 peak 270 weight 0.10000E+01 volume 0.59623E-03 ppm1 3.610 ppm2 1.280 CV 1
ASSI { 271}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HG2%)
2.500 0.800 0.800 peak 271 weight 0.10000E+01 volume 0.40401E-02 ppm1 3.576 ppm2 0.818 CV 1
ASSI { 272}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.900 1.000 1.000 peak 272 weight 0.10000E+01 volume 0.30451E-02 ppm1 3.847 ppm2 -0.241 CV 1
OR { 272}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 16 and name HD1%)
ASSI { 278}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HB2 ))
1.800 0.400 0.400 peak 278 weight 0.10000E+01 volume 0.13193E-01 ppm1 3.323 ppm2 2.575 CV 1
ASSI { 279}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HB2 ))
1.700 0.400 0.500 peak 279 weight 0.10000E+01 volume 0.26256E-01 ppm1 2.711 ppm2 2.491 CV 1
ASSI { 280}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HB2 ))
1.600 0.300 0.600 peak 280 weight 0.10000E+01 volume 0.29787E-01 ppm1 3.294 ppm2 3.127 CV 1
ASSI { 284}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 12 and name HB ))
3.000 1.100 1.100 peak 284 weight 0.10000E+01 volume 0.19104E-02 ppm1 2.856 ppm2 3.585 CV 1
ASSI { 286}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HB2 ))
1.800 0.400 0.400 peak 286 weight 0.10000E+01 volume 0.16599E-01 ppm1 3.332 ppm2 3.600 CV 1
ASSI { 288}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 6 and name HB ))
2.800 1.000 1.000 peak 288 weight 0.10000E+01 volume 0.41991E-02 ppm1 2.998 ppm2 3.979 CV 1
OR { 288}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 6 and name HB ))
ASSI { 301}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.300 1.300 1.300 peak 301 weight 0.10000E+01 volume 0.66740E-03 ppm1 2.578 ppm2 7.322 CV 1
ASSI { 303}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 22 and name HE3 ))
3.300 1.400 1.400 peak 303 weight 0.10000E+01 volume 0.68640E-03 ppm1 3.066 ppm2 7.463 CV 1
ASSI { 308}
(( segid " " and resid 20 and name HA2 ))
(( segid " " and resid 20 and name HN ))
2.300 0.700 0.700 peak 308 weight 0.10000E+01 volume 0.56310E-02 ppm1 3.470 ppm2 7.884 CV 1
ASSI { 312}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 312 weight 0.10000E+01 volume 0.22200E-02 ppm1 2.608 ppm2 8.520 CV 1
OR { 312}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HN ))
ASSI { 314}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.300 0.700 0.700 peak 314 weight 0.10000E+01 volume 0.57471E-02 ppm1 3.126 ppm2 8.805 CV 1
ASSI { 315}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HN ))
3.700 1.700 1.700 peak 315 weight 0.10000E+01 volume 0.18315E-02 ppm1 3.294 ppm2 8.804 CV 1
ASSI { 319}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 11 and name HN ))
3.800 1.800 1.800 peak 319 weight 0.10000E+01 volume 0.56368E-03 ppm1 2.612 ppm2 8.836 CV 1
OR { 319}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
ASSI { 320}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 320 weight 0.10000E+01 volume 0.12485E-02 ppm1 3.341 ppm2 9.376 CV 1
ASSI { 324}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 324 weight 0.10000E+01 volume 0.10568E-02 ppm1 3.004 ppm2 9.638 CV 1
ASSI { 326}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 326 weight 0.10000E+01 volume 0.43989E-02 ppm1 2.437 ppm2 8.719 CV 1
ASSI { 330}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HN ))
3.700 1.800 1.800 peak 330 weight 0.10000E+01 volume 0.92882E-03 ppm1 1.862 ppm2 8.510 CV 1
ASSI { 332}
(( segid " " and resid 7 and name HB ))
(( segid " " and resid 7 and name HN ))
2.900 1.000 1.000 peak 332 weight 0.10000E+01 volume 0.31294E-02 ppm1 1.848 ppm2 8.308 CV 1
ASSI { 333}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.400 1.400 1.400 peak 333 weight 0.10000E+01 volume 0.99738E-03 ppm1 1.943 ppm2 7.907 CV 1
ASSI { 335}
(( segid " " and resid 21 and name HB ))
(( segid " " and resid 21 and name HN ))
2.400 0.700 0.700 peak 335 weight 0.10000E+01 volume 0.52427E-02 ppm1 1.915 ppm2 7.011 CV 1
ASSI { 336}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.200 1.300 1.300 peak 336 weight 0.10000E+01 volume 0.97053E-03 ppm1 2.438 ppm2 4.542 CV 1
ASSI { 337}
(( segid " " and resid 18 and name HG1 ))
(( segid " " and resid 18 and name HB2 ))
2.200 0.600 0.600 peak 337 weight 0.10000E+01 volume 0.61004E-02 ppm1 1.836 ppm2 1.287 CV 1
ASSI { 339}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 339 weight 0.10000E+01 volume 0.36091E-02 ppm1 1.940 ppm2 1.288 CV 1
ASSI { 341}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 16 and name HD2%)
2.600 0.900 0.900 peak 341 weight 0.10000E+01 volume 0.74102E-02 ppm1 1.144 ppm2 0.361 CV 1
ASSI { 342}
(( segid " " and resid 16 and name HG ))
( segid " " and resid 16 and name HD2%)
2.400 0.700 0.700 peak 342 weight 0.10000E+01 volume 0.61966E-02 ppm1 0.927 ppm2 0.365 CV 1
ASSI { 343}
(( segid " " and resid 7 and name HG11))
(( segid " " and resid 7 and name HG12))
1.700 0.400 0.500 peak 343 weight 0.10000E+01 volume 0.17908E-01 ppm1 1.435 ppm2 1.161 CV 1
ASSI { 344}
(( segid " " and resid 7 and name HG11))
(( segid " " and resid 7 and name HB ))
2.800 1.000 1.000 peak 344 weight 0.10000E+01 volume 0.24881E-02 ppm1 1.429 ppm2 1.838 CV 1
ASSI { 347}
(( segid " " and resid 7 and name HG12))
(( segid " " and resid 7 and name HB ))
2.900 1.100 1.100 peak 347 weight 0.10000E+01 volume 0.23436E-02 ppm1 1.142 ppm2 1.838 CV 1
ASSI { 348}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB1 ))
1.700 0.400 0.500 peak 348 weight 0.10000E+01 volume 0.17907E-01 ppm1 1.281 ppm2 2.214 CV 1
ASSI { 349}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 26 and name HB1 ))
3.000 1.100 1.100 peak 349 weight 0.10000E+01 volume 0.18850E-02 ppm1 0.824 ppm2 2.259 CV 1
ASSI { 351}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 19 and name HB2 ))
2.700 0.900 0.900 peak 351 weight 0.10000E+01 volume 0.29840E-02 ppm1 0.823 ppm2 2.579 CV 1
ASSI { 356}
(( segid " " and resid 16 and name HG ))
(( segid " " and resid 20 and name HA2 ))
3.400 1.500 1.500 peak 356 weight 0.10000E+01 volume 0.86634E-03 ppm1 0.910 ppm2 3.450 CV 1
ASSI { 358}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 2 and name HA ))
3.200 1.300 1.300 peak 358 weight 0.10000E+01 volume 0.29152E-02 ppm1 1.103 ppm2 4.482 CV 1
ASSI { 360}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 8 and name HA ))
3.100 1.200 1.200 peak 360 weight 0.10000E+01 volume 0.15597E-02 ppm1 1.105 ppm2 4.985 CV 1
ASSI { 364}
( segid " " and resid 21 and name HG1%)
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 364 weight 0.10000E+01 volume 0.61795E-02 ppm1 0.823 ppm2 7.011 CV 1
ASSI { 366}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 21 and name HN ))
4.000 2.000 2.000 peak 366 weight 0.10000E+01 volume 0.83577E-03 ppm1 0.953 ppm2 7.006 CV 1
ASSI { 367}
( segid " " and resid 21 and name HG2%)
( segid " " and resid 23 and name HD% )
3.200 1.300 1.300 peak 367 weight 0.10000E+01 volume 0.11957E-02 ppm1 0.951 ppm2 7.167 CV 1
ASSI { 368}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 6 and name HN ))
4.100 2.100 1.900 peak 368 weight 0.10000E+01 volume 0.79540E-03 ppm1 1.109 ppm2 7.753 CV 1
ASSI { 369}
( segid " " and resid 5 and name HB% )
(( segid " " and resid 6 and name HN ))
3.200 1.300 1.300 peak 369 weight 0.10000E+01 volume 0.19098E-02 ppm1 1.383 ppm2 7.750 CV 1
ASSI { 371}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HN ))
2.500 0.800 0.800 peak 371 weight 0.10000E+01 volume 0.36039E-02 ppm1 1.144 ppm2 8.062 CV 1
ASSI { 372}
( segid " " and resid 5 and name HB% )
(( segid " " and resid 5 and name HN ))
2.700 0.900 0.900 peak 372 weight 0.10000E+01 volume 0.41413E-02 ppm1 1.380 ppm2 8.081 CV 1
ASSI { 373}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 5 and name HN ))
3.400 1.500 1.500 peak 373 weight 0.10000E+01 volume 0.97924E-03 ppm1 1.322 ppm2 8.072 CV 1
ASSI { 374}
( segid " " and resid 4 and name HB% )
(( segid " " and resid 4 and name HN ))
3.500 1.500 1.500 peak 374 weight 0.10000E+01 volume 0.10451E-02 ppm1 1.318 ppm2 7.985 CV 1
ASSI { 375}
(( segid " " and resid 7 and name HG11))
(( segid " " and resid 7 and name HN ))
3.500 1.500 1.500 peak 375 weight 0.10000E+01 volume 0.79552E-03 ppm1 1.435 ppm2 8.312 CV 1
ASSI { 377}
(( segid " " and resid 7 and name HG12))
(( segid " " and resid 7 and name HN ))
3.200 1.300 1.300 peak 377 weight 0.10000E+01 volume 0.13240E-02 ppm1 1.159 ppm2 8.311 CV 1
ASSI { 378}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 7 and name HN ))
3.600 1.600 1.600 peak 378 weight 0.10000E+01 volume 0.11477E-02 ppm1 0.838 ppm2 8.314 CV 1
ASSI { 379}
(( segid " " and resid 16 and name HG ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 379 weight 0.10000E+01 volume 0.77616E-03 ppm1 0.912 ppm2 8.065 CV 1
ASSI { 380}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HN ))
3.600 1.700 1.700 peak 380 weight 0.10000E+01 volume 0.21085E-02 ppm1 0.833 ppm2 8.620 CV 1
ASSI { 381}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 381 weight 0.10000E+01 volume 0.29379E-02 ppm1 1.037 ppm2 8.619 CV 1
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